(E)-2-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-2-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-2-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-2-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-2-(4-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid Formula: C17H13NO7 MolecularWeight: 343.28762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C(=O)O

InChI

InChI=1S/C17H13NO7/c1-23-12-4-2-10(3-5-12)13(17(19)20)6-11-7-15-16(25-9-24-15)8-14(11)18(21)22/h2-8H,9H2,1H3,(H,19,20)/b13-6+